2-(3-pyridin-4-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzenecarbonitrile

Systemtic Name: 2-(3-pyridin-4-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzenecarbonitrile Openeye Name: 2-[3-(4-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile CAS Name: 2-(3-pyridin-4-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile IUPAC Name: 2-(3-pyridin-4-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzonitrile Traditional Name: 2-[3-(4-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl]benzonitrile Formula: C19H17N5 MolecularWeight: 315.37178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=CC=C3C#N)C4=CC=NC=C4)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=CC=C3C#N)C4=CC=NC=C4)C1

InChI

InChI=1S/C19H17N5/c20-13-15-5-1-2-7-17(15)24-19-16(6-3-4-10-22-19)18(23-24)14-8-11-21-12-9-14/h1-2,5,7-9,11-12,23H,3-4,6,10H2